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ethyl 4-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
SpectraBase Compound ID F2ifVj8pRXD
InChI InChI=1S/C21H19N3O5/c1-3-29-20(27)14-6-8-15(9-7-14)22-12-17-18(25)23-21(28)24(19(17)26)16-10-4-13(2)5-11-16/h4-12,22H,3H2,1-2H3,(H,23,25,28)/b17-12-
InChIKey RJBLFNZKGJEULE-ATVHPVEESA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9oA4SSEUBTU
Name ethyl 4-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H19N3O5/c1-3-29-20(27)14-6-8-15(9-7-14)22-12-17-18(25)23-21(28)24(19(17)26)16-10-4-13(2)5-11-16/h4-12,22H,3H2,1-2H3,(H,23,25,28)/b17-12-
InChIKey RJBLFNZKGJEULE-ATVHPVEESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19321
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9139977; UBI_ID: UBI-019325
Synonyms ethyl 4-{[(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Temperature 318 °C